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Home > Fluorides > 144654-37-5
144654-37-5 | 1(3H)-Isobenzofuranone, 3-(4-fluoro-2-hydroxyphenyl)-3-phenyl-
CAS No: 144654-37-5 Catalog No: AG001JXD MDL No:
Product Description
Catalog Number:
AG001JXD
Chemical Name:
1(3H)-Isobenzofuranone, 3-(4-fluoro-2-hydroxyphenyl)-3-phenyl-
CAS Number:
144654-37-5
Molecular Formula:
C20H13FO3
Molecular Weight:
320.3138
IUPAC Name:
3-(4-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one
InChI:
InChI=1S/C20H13FO3/c21-14-10-11-17(18(22)12-14)20(13-6-2-1-3-7-13)16-9-5-4-8-15(16)19(23)24-20/h1-12,22H
InChI Key:
SSIIAIWFLDJMLV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)O)C1(OC(=O)c2c1cccc2)c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.319g/mol
Monoisotopic Mass:
320.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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